cyclododecane-1,1-diol

C12H24O2 — CID 3015489

IUPACcyclododecane-1,1-diol
SMILESOC1(O)CCCCCCCCCCC1
InChIInChI=1S/C12H24O2/c13-12(14)10-8-6-4-2-1-3-5-7-9-11-12/h13-14H,1-11H2
InChIKeyMGBBJDOYTDFYHH-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.97
Rot. Bonds

About cyclododecane-1,1-diol

cyclododecane-1,1-diol (PubChem CID 3015489) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is cyclododecane-1,1-diol.

Molecular Properties

Compound Namecyclododecane-1,1-diol
PubChem CID3015489
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Namecyclododecane-1,1-diol
SMILESOC1(O)CCCCCCCCCCC1
InChIInChI=1S/C12H24O2/c13-12(14)10-8-6-4-2-1-3-5-7-9-11-12/h13-14H,1-11H2
InChIKeyMGBBJDOYTDFYHH-UHFFFAOYSA-N
XLogP2.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclododecane-1,1-diol?
The IUPAC name of cyclododecane-1,1-diol (CID 3015489) is cyclododecane-1,1-diol.
What is the SMILES notation for cyclododecane-1,1-diol?
The canonical SMILES for cyclododecane-1,1-diol is OC1(O)CCCCCCCCCCC1.
What is the InChIKey of cyclododecane-1,1-diol?
The InChIKey is MGBBJDOYTDFYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c13-12(14)10-8-6-4-2-1-3-5-7-9-11-12/h13-14H,1-11H2.
What are the key properties of cyclododecane-1,1-diol?
cyclododecane-1,1-diol has a molecular weight of 200.32 g/mol, XLogP of 2.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecane-1,1-diol is sourced from PubChem (CID 3015489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).